2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide

C18H21ClN2O — CID 119440626

IUPAC2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide
SMILESCCNCc1ccccc1NC(=O)C(C)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O/c1-3-20-12-15-7-4-5-10-17(15)21-18(22)13(2)14-8-6-9-16(19)11-14/h4-11,13,20H,3,12H2,1-2H3,(H,21,22)
InChIKeyJSICXHJQCUIXOK-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.19
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide

2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide (PubChem CID 119440626) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide
PubChem CID119440626
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide
SMILESCCNCc1ccccc1NC(=O)C(C)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O/c1-3-20-12-15-7-4-5-10-17(15)21-18(22)13(2)14-8-6-9-16(19)11-14/h4-11,13,20H,3,12H2,1-2H3,(H,21,22)
InChIKeyJSICXHJQCUIXOK-UHFFFAOYSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 43809215
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335
4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide
CID 119440668
N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide
CID 119438867
2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119440809
2-(4-chloro-2-nitrophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119440840
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 75469343
(2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid
CID 119943058
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
N-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride
CID 119385148
(2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide
CID 896234
N-(2-chlorophenyl)-2-phenylpropanamide
CID 70678301

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide (CID 119440626) is 2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide is CCNCc1ccccc1NC(=O)C(C)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide?
The InChIKey is JSICXHJQCUIXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-3-20-12-15-7-4-5-10-17(15)21-18(22)13(2)14-8-6-9-16(19)11-14/h4-11,13,20H,3,12H2,1-2H3,(H,21,22).
What are the key properties of 2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide?
2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide has a molecular weight of 316.83 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide is sourced from PubChem (CID 119440626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).